Alternatives and similar repositories for admet_ai:

Users that are interested in admet_ai are comparing it to the libraries listed below

• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆113Updated last month
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆214Updated 9 months ago
• BioinfoMachineLearning / PoseBench
  Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
  ☆148Updated last month
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆119Updated last year
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years ago
• zaixizhang / PocketGen
  PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets
  ☆177Updated 3 weeks ago
• OptiMaL-PSE-Lab / DeepDock
  Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…
  ☆176Updated 3 years ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆175Updated last month
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆180Updated 3 weeks ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆238Updated 11 months ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆113Updated 11 months ago
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆150Updated last year
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆114Updated 2 years ago
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆277Updated this week
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆70Updated 2 months ago
• LPDI-EPFL / DrugFlow
  Multi-domain Distribution Learning for De Novo Drug Design
  ☆81Updated last month
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆181Updated 2 months ago
• pinder-org / pinder
  PINDER: The Protein INteraction Dataset and Evaluation Resource
  ☆116Updated 5 months ago
• katritchlab / V-SYNTHES
  ☆76Updated 3 years ago
• oxpig / DeLinker
  ☆125Updated 2 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆104Updated 6 months ago
• Kuhlman-Lab / ThermoMPNN
  GNN trained to predict changes in thermodynamic stability for protein point mutants
  ☆164Updated 2 months ago
• t7morgen / misato-dataset
  ☆200Updated 7 months ago
• patrickbryant1 / EvoBind
  In silico directed evolution of peptide binders with AlphaFold
  ☆163Updated 3 weeks ago
• plinder-org / plinder
  Protein Ligand INteraction Dataset and Evaluation Resource
  ☆219Updated 3 weeks ago
• colbyford / PyMOLfold
  Plugin for folding sequences directly in PyMOL
  ☆94Updated 2 months ago
• jertubiana / ScanNet
  ☆125Updated last year
• dockstring / dockstring
  A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…
  ☆169Updated 2 weeks ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆87Updated last year
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆199Updated last month